3FKQ

Crystal structure of NtrC-like two-domain protein (RER070207001320) from Eubacterium rectale at 2.10 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97908,0.97845
Spacegroup name	C 1 2 1
Unit cell lengths	121.506, 79.495, 55.022
Unit cell angles	90.00, 96.16, 90.00

Refinement procedure

Resolution	29.161 - 2.100
R-factor	0.191
Rwork	0.190
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.381
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.161	29.160	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.085	0.049	0.627
Total number of observations		1042	7318
Number of reflections	30416
<I/σ(I)>	5.832	12.6	1.2
Completeness [%]	99.8	95	100
Redundancy	3.2	3.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.57	293	2.1M ammonium sulfate, 2.25% polyethylene glycol 400, 15.0% Glycerol, 0.1M HEPES pH 7.57, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K